Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of ...

In this thesis, we studied excitonic light emission from core-multishell semiconductor hetero-nanocrystals having a spherically symmetric shape as a function of core size and shell thicknesses. Different combinations of ...

Motivated by the recent synthesis of layered hexagonal aluminum nitride (h-AlN), we investigate its layer- and strain-dependent electronic and optical properties by using first-principles methods. Monolayer h-AlN is a ...

We report experimental and theoretical investigations of nitrogen doped graphene. A low-pressure Chemical Vapor Deposition (CVD) system was used to grow large-area graphene on copper foil, using ethylene as the carbon ...

By performing density functional theory-based calculations, we investigate how a hydrogen atom interacts with the surfaces of monolayer PbI2 and how one- and two-side hydrogenation modifies its structural, electronic, and ...

The effect of an applied electric field and the effect of charging are investigated on the magnetic anisotropy (MA) of various stable two-dimensional (2D) crystals such as graphene, FeCl2, graphone, fluorographene, and ...